Geometry & MOs

Info

ID:

415995

PubChem CID:

135089000

Reduced:

NO4C19H25 (1)

Stoich.:

AB4C19D25 (1)

Weight, g/mol:

564.280866

ΔHf, kcal/mol:

-158.25

Dipole, Da:

6.67

IP(EA), eV:

 -8.75(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-11-propan-2-yl-15-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=C4C(=CC=C3)OCCO4)O

DOS

IR

Vibrations